2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine

C16H28N2 — CID 62009172

IUPAC2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine
SMILESCCc1ccc(CN(CC)C(C)(CC)CN)cc1
InChIInChI=1S/C16H28N2/c1-5-14-8-10-15(11-9-14)12-18(7-3)16(4,6-2)13-17/h8-11H,5-7,12-13,17H2,1-4H3
InChIKeyAWUVPWFXILYNCC-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.20
Rot. Bonds7

About 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine

2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine (PubChem CID 62009172) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine
PubChem CID62009172
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine
SMILESCCc1ccc(CN(CC)C(C)(CC)CN)cc1
InChIInChI=1S/C16H28N2/c1-5-14-8-10-15(11-9-14)12-18(7-3)16(4,6-2)13-17/h8-11H,5-7,12-13,17H2,1-4H3
InChIKeyAWUVPWFXILYNCC-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-methyl-2-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 62009981
2-N-ethyl-2-N-[(4-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 55139466
2-methyl-2-N-[(4-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62010396
2-N-benzyl-2-N-ethyl-2-methylnonane-1,2-diamine
CID 43130163
2-N-ethyl-2-N-[(1-ethylpyrazol-4-yl)methyl]-2-methylbutane-1,2-diamine
CID 55041328
2-N-[(4-fluorophenyl)methyl]-2-N,2-dimethylbutane-1,2-diamine
CID 61413159
2-N-ethyl-2-methyl-2-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 64800801
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
3-[4-(diethylamino)phenyl]-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 84752196
2-N-ethyl-2-N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutane-1,2-diamine
CID 104791386
2-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-N-ethyl-2-methylbutane-1,2-diamine
CID 103172092
4-[[tert-butyl(ethyl)amino]methyl]benzenecarbothioamide
CID 39160683

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine (CID 62009172) is 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine is CCc1ccc(CN(CC)C(C)(CC)CN)cc1.
What is the InChIKey of 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine?
The InChIKey is AWUVPWFXILYNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-14-8-10-15(11-9-14)12-18(7-3)16(4,6-2)13-17/h8-11H,5-7,12-13,17H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine?
2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(4-ethylphenyl)methyl]-2-methylbutane-1,2-diamine is sourced from PubChem (CID 62009172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).